405
 OpenBabel09292113353D

 55 58  0  0  1  0  0  0  0  0999 V2000
    1.1282    0.2735    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6063    0.1650    0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1514   -1.0883    0.0874 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4430   -0.9128    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3987   -1.8752    0.0728 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6950   -1.5077    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551   -0.2173    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1620    0.8568    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4072    2.0569    0.2365 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7963    0.4412    0.1086 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5887    1.1519    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4540    2.6432    0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6770    3.2189    1.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    2.9386    2.6457 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6274    3.5643    2.8291 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3676    3.4740    3.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1473    3.5027    3.7446 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1043    3.9073    4.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5261   -0.2090    0.0405 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8762   -1.4905   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862   -2.3254    0.0176 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7290   -3.7738    0.1198 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0214   -4.3569    0.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1215   -5.5334   -0.5430 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0785   -5.2952   -1.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4100   -5.1208   -1.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5854   -4.8848   -2.4502 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.2314   -6.3195   -2.9062 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7562   -3.6475   -2.8625 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.7609   -4.6487   -3.6974 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7030   -5.8199   -1.0495 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9279   -6.6062   -0.1083 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0565   -4.4449   -1.0778 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6274   -4.5480   -0.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794   -0.7259    0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7965    0.8199   -0.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497    0.7688    0.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0988   -2.8414   -0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9096    2.9089   -0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4135    3.1551   -0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503    2.8342    1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5737    4.3035    1.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3833    1.8621    2.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5821    4.5363    2.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2853    3.1262    2.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0506    3.7938    4.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8912   -1.8723   -0.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1630   -3.9761    1.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5013   -6.3452    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7517   -4.4143   -2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0353   -6.1669   -2.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6538   -6.3347   -2.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5503   -6.9445    0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571   -3.9152   -2.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4945   -5.4681   -0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 22 48  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 31  1  0  0  0  0
 24 49  1  1  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 52  1  6  0  0  0
 32 53  1  0  0  0  0
 33 34  1  0  0  0  0
 33 54  1  6  0  0  0
 34 55  1  0  0  0  0
M  CHG  2  29  -1  30  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
